Geometry & MOs

Info

ID:	152535
PubChem CID:	56311489
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	439.25834
ΔH_f, kcal/mol:	-93.44
Dipole, Da:	0.83
IP(EA), eV:	-8.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=COC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations